EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:130304 - (4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one

Default Structure
ChEBI IDCHEBI:130304
ChEBI Name(4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
Stars
DownloadsMolfile
FormulaC22H23ClN4O2
Net Charge0
Average Mass410.905
Monoisotopic Mass410.15095
SMILESO=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c23-19-8-6-16(7-9-19)12-18-10-11-27-13-20(25-26-27)14-29-15-21(24-22(18)28)17-4-2-1-3-5-17/h1-9,13,18,21H,10-12,14-15H2,(H,24,28)/t18-,21+/m0/s1
InChIKeyIVSFOQKCIBTUJX-GHTZIAJQSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:130304) is a azamacrocycle (CHEBI:52898)
(4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:130304) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-41853LINCS